CID 22728982

50551-59-2

Structural Information

Molecular Formula
C10H8O4
SMILES
COC1=CC=CC2=C1C=C(O2)C(=O)O
InChI
InChI=1S/C10H8O4/c1-13-7-3-2-4-8-6(7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)
InChIKey
JDGOMFYYKYOPFZ-UHFFFAOYSA-N
Compound name
4-methoxy-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

192.04225 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 134.9
[M+Na]+ 215.031468 145.6
[M-H]- 191.034974 140.0
[M+NH4]+ 210.076073 155.7
[M+K]+ 231.005408 144.7
[M+H-H2O]+ 175.039510 130.1
[M+HCOO]- 237.040451 158.9
[M+CH3COO]- 251.056101 179.4
[M+Na-2H]- 213.016916 142.3
[M]+ 192.04170142 140.2
[M]- 192.04279858 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe